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OALib Journal期刊
ISSN: 2333-9721
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Visualization of Conformational Space of Tri-peptide and Tetra-peptide
三肽和四肽构象空间的可视化方法

Keywords: Distance-preserving transformation,Tri-peptide conformational space,Tetra-peptide conformational space,Visualization,Cluster
蛋白质
,寡肽,构象空间,三肽,四肽,可视化,聚集性

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Abstract:

To extract conformational motifs and construct fragmental libraries for peptide, it is important to analyze the structure of the conformational space of oligo-peptide. A distance-preserving transformation is built to map the tri-peptide conformational space with RMSD metric to a one- dimensional Euclidean space. The clustering of tri-peptide conformations in this space can be directly visualized. The conformation of tri-peptide can be coded by a single parameter. Using this feature, every tetra-peptide conformation can be mapped into a three-dimensional space. The distribution of conformations of tetra-peptide fragments in known protein structures can be readily visualized and analyzed in this space. Clustering of conformations in this space is observed, but not so clearly cut. It is shown that there exist strong relations between the clusters and secondary structure classes. Between some clusters there lack well-defined boundaries because the distribution is obviously continuous. The method could be extended to analyze cohesion in the conformational space of longer oligo-peptide.

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